SCHEMBL9985451

SCHEMBL9985451

COC(=O)Cc1c(F)cccc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGFR P00533 3/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
MAPK8 P45983 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28031637 0.93 SMN1; SMN2 (0.51) SMN1; SMN2GAAL3MBTL1EGFRLMNA
SCHEMBL28724963 0.89 SMN1; SMN2 (0.51) SMN1; SMN2GAAL3MBTL1EGFRLMNA
SCHEMBL22807323 0.88 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL838467 0.88 SMN1; SMN2 (0.74) SMN1; SMN2LMNAKDM4ETSHRMEN1
SCHEMBL31446775 0.88 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL23270679 0.88 SMN1; SMN2 (0.50) SMN1; SMN2GAAEGFRLMNAKDM4E
SCHEMBL15777690 0.87 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL8914214 0.85 SMN1; SMN2 (0.51) SMN1; SMN2GAAL3MBTL1LMNAKDM4E
SCHEMBL31446049 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GAAL3MBTL1EGFRLMNA
SCHEMBL29907828 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GAAL3MBTL1EGFRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164593-A Pyrimidoindoles compound, preparation method and application thereof, and anti-erythroleukemia drug 贵州省天然产物研究中心 2023-12-05 CN claimed
US-12630554-B2 Pyrimidinone compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2026-05-19 US disclosed
CN-118339153-A Heteroaromatic compounds for the treatment of cancer 勃林格殷格翰国际有限公司 2024-07-12 CN disclosed
US-20240002388-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2024-01-04 US disclosed
CN-117164593-A Pyrimidoindoles compound, preparation method and application thereof, and anti-erythroleukemia drug 贵州省天然产物研究中心 2023-12-05 CN disclosed
WO-2023117681-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-29 WO disclosed
CN-116249696-A Pyrimidinone compounds and use thereof 和记黄埔医药(上海)有限公司 2023-06-09 CN disclosed
WO-2022037585-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-02-24 WO disclosed
WO-2022016642-A1 CULTURE MEDIUM FOR LUNG CANCER EPITHELIAL CELL, CULTURE METHOD AND USE THEREOF 合肥中科普瑞昇生物医药科技有限公司 2022-01-27 WO disclosed
EP-2584903-B1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999957-B2 Heterocyclic compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
EP-2584903-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MERCK SHARP & DOHME LLC 2013-04-18 US disclosed
WO-2011163330-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-29 WO disclosed
CN-101525339-A Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB 2009-09-09 CN disclosed
CN-1968956-A Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-05-23 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130096084-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHBITORS MAPK1, MAPK6, MAPK3 SMN1; SMN2 4688/4885GAA 3289/4885L3MBTL1 4072/4885
US-20240002388-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF TYMP, DPYD, DHFR SMN1; SMN2 1318/4885GAA 503/4885L3MBTL1 4634/4885
US-12630554-B2 Pyrimidinone compounds and uses thereof CYP2D6, TPMT, CYP2B6 SMN1; SMN2 1364/4885GAA 2937/4885L3MBTL1 4086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.